Geometry & MOs

Info

ID:	142266
PubChem CID:	53007586
Reduced:	SO2N5C23H27 (1)
Stoich.:	AB2C5D23E27 (1)
Weight, g/mol:	398.141262
ΔH_f, kcal/mol:	4.37
Dipole, Da:	6.38
IP(EA), eV:	-8.49(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethoxyphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CCCN(C3)C4=NC5=C(S4)N=CC=C5

DOS

IR

Vibrations